5-amino-5H-cyclohepta[b]pyran-2-one

C10H9NO2 — CID 143196108

IUPAC5-amino-5H-cyclohepta[b]pyran-2-one
SMILESNC1C=CC=Cc2oc(=O)ccc21
InChIInChI=1S/C10H9NO2/c11-8-3-1-2-4-9-7(8)5-6-10(12)13-9/h1-6,8H,11H2
InChIKeyGFTLEGHIKRKWMA-UHFFFAOYSA-N
MW175.19 g/mol
LogP1.22
Rot. Bonds

About 5-amino-5H-cyclohepta[b]pyran-2-one

5-amino-5H-cyclohepta[b]pyran-2-one (PubChem CID 143196108) has the molecular formula C10H9NO2 and a molecular weight of 175.19 g/mol. Its IUPAC name is 5-amino-5H-cyclohepta[b]pyran-2-one.

Molecular Properties

Compound Name5-amino-5H-cyclohepta[b]pyran-2-one
PubChem CID143196108
Molecular FormulaC10H9NO2
Molecular Weight175.19 g/mol
Exact Mass175.06
IUPAC Name5-amino-5H-cyclohepta[b]pyran-2-one
SMILESNC1C=CC=Cc2oc(=O)ccc21
InChIInChI=1S/C10H9NO2/c11-8-3-1-2-4-9-7(8)5-6-10(12)13-9/h1-6,8H,11H2
InChIKeyGFTLEGHIKRKWMA-UHFFFAOYSA-N
XLogP1.22
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5H-benzo[7]annulen-5-amine
CID 101144448
6-hydroxy-5,6-dihydropyrano[3,2-b]pyridin-2-one
CID 123681583
6-sulfonylcyclohexa-2,4-dien-1-amine
CID 87974308
3-amino-3H-oxepin-2-one
CID 70680429
6-diphenylsilylidenecyclohexa-2,4-dien-1-amine
CID 161182347
3-amino-1-hydroxy-3H-azepin-2-one
CID 70235739
(6R)-6-hydroxycyclohexa-2,4-dien-1-one
CID 122227918
(3R)-3-amino-1-methyl-3H-azepin-2-one
CID 162732977
7,7-dimethylcyclohepta[b]pyran-2-one
CID 142330756
4H-thiochromen-4-amine
CID 22725329
4,13-dioxaheptacyclo[14.6.6.02,15.03,8.09,14.017,22.023,28]octacosa-2,6,8,10,14,17(22),19,23,25,27-decaene-5,12,18,21-tetrone
CID 132916040
1H-inden-1-amine
CID 14298803

Frequently Asked Questions

What is the IUPAC name of 5-amino-5H-cyclohepta[b]pyran-2-one?
The IUPAC name of 5-amino-5H-cyclohepta[b]pyran-2-one (CID 143196108) is 5-amino-5H-cyclohepta[b]pyran-2-one.
What is the SMILES notation for 5-amino-5H-cyclohepta[b]pyran-2-one?
The canonical SMILES for 5-amino-5H-cyclohepta[b]pyran-2-one is NC1C=CC=Cc2oc(=O)ccc21.
What is the InChIKey of 5-amino-5H-cyclohepta[b]pyran-2-one?
The InChIKey is GFTLEGHIKRKWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2/c11-8-3-1-2-4-9-7(8)5-6-10(12)13-9/h1-6,8H,11H2.
What are the key properties of 5-amino-5H-cyclohepta[b]pyran-2-one?
5-amino-5H-cyclohepta[b]pyran-2-one has a molecular weight of 175.19 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-5H-cyclohepta[b]pyran-2-one is sourced from PubChem (CID 143196108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).